4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid

C17H25N3O3 — CID 122086913

IUPAC4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid
SMILESCN(c1ccccc1NC(=O)NCCCC(=O)O)C1CCCC1
InChIInChI=1S/C17H25N3O3/c1-20(13-7-2-3-8-13)15-10-5-4-9-14(15)19-17(23)18-12-6-11-16(21)22/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,21,22)(H2,18,19,23)
InChIKeyMBGSUEYBAUXTCW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.05
Rot. Bonds7

About 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid

4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid (PubChem CID 122086913) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid
PubChem CID122086913
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid
SMILESCN(c1ccccc1NC(=O)NCCCC(=O)O)C1CCCC1
InChIInChI=1S/C17H25N3O3/c1-20(13-7-2-3-8-13)15-10-5-4-9-14(15)19-17(23)18-12-6-11-16(21)22/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,21,22)(H2,18,19,23)
InChIKeyMBGSUEYBAUXTCW-UHFFFAOYSA-N
XLogP3.05
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoylamino]butanoic acid
CID 122084694
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]butanamide
CID 119899319
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]propanamide;dihydrochloride
CID 119899288
2-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]pentanamide
CID 119899281
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015008
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119899295
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
2-[2-[cyclopentyl(methyl)amino]anilino]-N-methyl-N-phenylacetamide
CID 71849650
N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide
CID 71849649
4-[[2-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoic acid
CID 122076997

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid (CID 122086913) is 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid is CN(c1ccccc1NC(=O)NCCCC(=O)O)C1CCCC1.
What is the InChIKey of 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid?
The InChIKey is MBGSUEYBAUXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(13-7-2-3-8-13)15-10-5-4-9-14(15)19-17(23)18-12-6-11-16(21)22/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,21,22)(H2,18,19,23).
What are the key properties of 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid?
4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid has a molecular weight of 319.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122086913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).